N-(3-cyclopentyloxy-4-methoxy-phenyl)-1-(phenylmethyl)piperidin-1-ium-3-carboxamide; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: N-(3-cyclopentyloxy-4-methoxy-phenyl)-1-(phenylmethyl)piperidin-1-ium-3-carboxamide; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 1-benzyl-N-[3-(cyclopentoxy)-4-methoxy-phenyl]piperidin-1-ium-3-carboxamide; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(phenylmethyl)-3-piperidin-1-iumcarboxamide; (E)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 1-benzyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-ium-3-carboxamide; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 1-benzyl-N-[3-(cyclopentoxy)-4-methoxy-phenyl]piperidin-1-ium-3-carboxamide; (E)-4-hydroxy-4-keto-but-2-enoate Formula: C29H36N2O7 MolecularWeight: 524.60534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2CCC[NH+](C2)CC3=CC=CC=C3)OC4CCCC4.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2CCC[NH+](C2)CC3=CC=CC=C3)OC4CCCC4.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C25H32N2O3.C4H4O4/c1-29-23-14-13-21(16-24(23)30-22-11-5-6-12-22)26-25(28)20-10-7-15-27(18-20)17-19-8-3-2-4-9-19;5-3(6)1-2-4(7)8/h2-4,8-9,13-14,16,20,22H,5-7,10-12,15,17-18H2,1H3,(H,26,28);1-2H,(H,5,6)(H,7,8)/b;2-1+